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2.beta.-(Angeloyl)-5.alpha.,8-diisobutyryl-1.beta.,3.alpha.,4.alpha.,10,11-pentahydroxy-Bisabolene
SpectraBase Compound ID 55gkxaZgtbR
InChI InChI=1S/C28H46O11/c1-11-15(6)26(34)39-23-20(30)19(21(22(31)28(23,10)36)38-25(33)14(4)5)16(7)17(37-24(32)13(2)3)12-18(29)27(8,9)35/h11,13-14,17-23,29-31,35-36H,7,12H2,1-6,8-10H3/b15-11-/t17-,18+,19+,20+,21+,22+,23+,28+/m0/s1
InChIKey CANQQDYQTZSHHA-WZLJMYLQSA-N
Mol Weight 558.7 g/mol
Molecular Formula C28H46O11
Exact Mass 558.304012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2C7zjMxLm74
Name 2-BETA-ANGELOYL-5-ALPHA,8-DIISOBUTYRYL-1-BETA,3-ALPHA,4-ALPHA,10,11-PENTAHYDROXYBISABOLENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H46O11
InChI InChI=1S/C28H46O11/c1-11-15(6)26(34)39-23-20(30)19(21(22(31)28(23,10)36)38-25(33)14(4)5)16(7)17(37-24(32)13(2)3)12-18(29)27(8,9)35/h11,13-14,17-23,29-31,35-36H,7,12H2,1-6,8-10H3/b15-11-/t17-,18+,19+,20+,21+,22+,23+,28+/m0/s1
InChIKey CANQQDYQTZSHHA-WZLJMYLQSA-N
Literature Reference Author H.CHEN,Y.ZHU,X.M.SHEN,Z.J.JIA
Literature Reference Citation J.NAT.PROD.,59,1117(1996)
Literature Reference DOI 10.1021/np9601768
Molecular Weight 558.667 g/mol
Solvent CDCl3
Source File Reference UWKP90